N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine

C18H18N6S — CID 56917062

IUPACN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccsc1CN(C)c1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C18H18N6S/c1-12-6-8-25-15(12)11-23(2)17-14-10-20-24(3)18(14)22-16(21-17)13-5-4-7-19-9-13/h4-10H,11H2,1-3H3
InChIKeyXTIKVOUMIXPHGZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.43
Rot. Bonds4

About N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56917062) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56917062
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC NameN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccsc1CN(C)c1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C18H18N6S/c1-12-6-8-25-15(12)11-23(2)17-14-10-20-24(3)18(14)22-16(21-17)13-5-4-7-19-9-13/h4-10H,11H2,1-3H3
InChIKeyXTIKVOUMIXPHGZ-UHFFFAOYSA-N
XLogP3.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56917062) is N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccsc1CN(C)c1nc(-c2cccnc2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XTIKVOUMIXPHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-12-6-8-25-15(12)11-23(2)17-14-10-20-24(3)18(14)22-16(21-17)13-5-4-7-19-9-13/h4-10H,11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 350.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56917062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).